Cas no 62644-23-9 (Thiourea, N-(3-bromophenyl)-N'-ethyl-)
62644-23-9 structure
Product Name:Thiourea, N-(3-bromophenyl)-N'-ethyl-
CAS No:62644-23-9
MF:C9H11BrN2S
MW:259.166039705276
CID:436649
PubChem ID:12273784
Update Time:2025-04-19
Thiourea, N-(3-bromophenyl)-N'-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(3-bromophenyl)-N'-ethyl-
- 1-(3-bromophenyl)-3-ethylthiourea
- DTXSID00483556
- 62644-23-9
- AKOS003553930
-
- Inchi： 1S/C9H11BrN2S/c1-2-11-9(13)12-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H2,11,12,13)
- InChI Key： RVLSQEKYVPNECH-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)NC(NCC)=S
Computed Properties
- Exact Mass: 257.98273
- Monoisotopic Mass: 257.98263g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-(3-bromophenyl)-N'-ethyl- Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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